Journal of Chemical Physics

Journal of Chemical Physics, Vol.117, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (49 articles)

9095 - 9098	Cis -> trans conversion of formic acid by dissipative tunneling in solid rare gases: Influence of environment on the tunneling rate Pettersson M, Macoas EMS, Khriachtchev L, Lundell J, Fausto R, Rasanen M
9099 - 9102	Picosecond pump-probe photoelectron spectroscopy as a probe of intramolecular dynamics in S-1 para-fluorotoluene Davies JA, Reid KL, Towrie M, Matousek P
9103 - 9106	Experimental evidence for two thermodynamic length scales in neutralized polyacrylate gels Horkay F, Hecht AM, Grillo I, Basser PJ, Geissler E
9107 - 9110	Nuclear cusp of the virial exchange energy density for spherical atoms Sen KD, Geerlings P
9111 - 9115	A comparison of some variational formulas for the free energy as applied to hard-sphere crystals Barnes CD, Kofke DA
9116 - 9123	Cross correlation functions C-nm(E) via Lanczos algorithms without diagonalization Karlsson HO, Holmgren S
9124 - 9132	An analytical model for vibrational non-Born-Oppenheimer induced electron ejection in molecular anions Simons J
9133 - 9137	Statistical angular correlation coefficients of atomic Hartree-Fock orbitals Koga T, Kawata Y
9138 - 9153	n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants Angeli C, Cimiraglia R, Malrieu JP
9154 - 9159	The analog of Koopmans' theorem in spin-density functional theory Gritsenko OV, Baerends EJ
9160 - 9174	The efficient optimization of molecular geometries using redundant internal coordinates Bakken V, Helgaker T
9175 - 9189	A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle Chelli R, Procacci P
9190 - 9201	Implementation of generalized valence bond-inspired coupled cluster theories Van Voorhis T, Head-Gordon M
9202 - 9214	Accurate method for the Brownian dynamics simulation of spherical particles with hard-body interactions Barenbrug TMAOM, Peters EAJF, Schieber JD
9215 - 9226	The generalized Douglas-Kroll transformation Wolf A, Reiher M, Hess BA
9227 - 9233	An optimized mean first passage time approach for obtaining rates in activated processes Shepherd TD, Hernandez R
9234 - 9240	Polarization consistent basis sets. III. The importance of diffuse functions Jensen F
9241 - 9247	The photodissociation of N,N-dimethylformamide: A complete active space self-consistent field study Liu D, Fang WH, Lin ZY, Fu XY
9248 - 9257	Dissociative photoionization of N2O in the region of the N2O+(C-2 Sigma(+)) state, studied by ion-electron velocity vector correlation Lebech M, Houver JC, Dowek D, Lucchese RR
9258 - 9265	Dynamics of CO elimination from reactions of yttrium atoms with formaldehyde, acetaldehyde, and acetone Schroden JJ, Teo M, Davis HF
9266 - 9274	The 212.8-nm photodissociation of formic acid: Degenerate four-wave mixing spectroscopy of the nascent OH(X (2)Pi(i)) radicals Lee KW, Lee KS, Jung KH, Volpp HR
9275 - 9285	Vibrational predissociation of van der Waals molecules: An internal collision, angular momentum model McCaffery AJ, Marsh RJ
9286 - 9292	Molecular dynamics simulations of structural transitions and phase coexistence in water pentamers Bosma WB, Rhodes MM
9293 - 9297	Au-9(+): Rapid isomerization reactions at 140 K Weis P, Bierweiler T, Vollmer E, Kappes MM
9298 - 9305	Theoretical investigation of the effect of the rare gas matrices on the vibrational spectra of solvated molecular ions: Cu+CO Bludsky O, Silhan M, Nachtigall P
9306 - 9315	Zero energy kinetic electron and mass analyzed threshold ionization spectroscopy of Na center dot(NH3)(n) (n=1, 2, and 4) complexes Peng XZ, Kong W
9316 - 9326	Double-resonance spectroscopy of quasi-linear Rydberg states of water Glab WL
9327 - 9338	Vibronic structure of CCS in the (A)over-tilde (3)Pi(i) state studied by laser-induced fluorescence spectroscopy Nakajima M, Sumiyoshi Y, Endo Y
9339 - 9346	Born-Oppenheimer breakdown in a combined-isotopomer analysis of the A(1)Sigma(+)(u)-X-1 Sigma(+)(g) system of Li-2 Wang XJ, Magnes J, Lyyra AM, Ross AJ, Martin F, Dove PM, Le Roy RJ
9347 - 9352	Photodissociation of hydrogen iodide in the A-band region 273-288 nm Manzhos S, Loock HP, Bakker BLG, Parker DH
9353 - 9369	1 potential, 2 potentials, 3 potentials-4: Untangling the UV photodissociation spectra of HI and DI Le Roy RJ, Kraemer GT, Manzhos S
9370 - 9373	Self-diffusion coefficient of dense fluids from the pair correlation function Bretonnet JL
9374 - 9382	Collective molecular rotation in D2O Shelton DP
9383 - 9394	Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures Trofimov SY, Nies ELF, Michels MAJ
9395 - 9408	Rayleigh-Taylor instability of reaction-diffusion acidity fronts Yang J, D'Onofrio A, Kalliadasis S, De Wit A
9409 - 9412	Ab initio x-ray scattering of liquid water Krack M, Gambirasio A, Parrinello M
9413 - 9422	Integral encounter theories of multistage reactions. IV. Account of internal quantum states of reactants Ivanov KL, Lukzen NN, Morozov VA, Doktorov AB
9423 - 9429	Cage effect for the photodissociation of H2O molecules in argon clusters embedded inside neon clusters Kanaev A, Museur L, Edery F, Laarmann T, Moller T
9430 - 9433	Orientation dependence of fluorescence lifetimes near an interface Kreiter M, Prummer M, Hecht B, Wild UP
9434 - 9444	Exciton-phonon interaction in molecular crystals with noncorrelated couplings between excited states and lattice vibrations Tovstenko VI, Sekirin IV
9445 - 9451	Controlling the spin of metal atoms adsorbed on oxide surfaces: Ni on regular and defective sites of the MgO(001) surface Lopez N, Paniagua JC, Illas F
9452 - 9459	A molecular-dynamics simulation study of the switching dynamics of a nematic liquid crystal under an applied electrical field Tian P, Bedrov D, Smith GD, Glaser M, Maclennan JE
9460 - 9464	Electrostatic attraction between ionic reverse micelles with dielectric discontinuity Chen PL
9465 - 9477	Multidimensional spectroscopic probes of single molecule fluctuations Barsegov V, Mukamel S
9478 - 9489	A molecular dynamics simulation study of the viscoelastic properties of polymer nanocomposites Smith GD, Bedrov D, Li LW, Byutner O
9491 - 9501	Analysis of pattern formation and phase separation in the immunological synapse Hori Y, Raychaudhuri S, Chakraborty AK
9502 - 9509	Density functional model of surfactant mesostructures Christopher PS, Oxtoby DW
9510 - 9517	Determination of the structures of distinct transition state ensembles for a beta-sheet peptide with parallel folding pathways Davis R, Dobson CM, Vendruscolo M
9518 - 9519	Monte Carlo simulation of vapor-liquid binodal of water Yoo S, Zeng XC